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1,3-Butadiene

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Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   C2h     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CH2 a-str 3087  D  ia 3087 M sln.
ag 2 CH str 3003  D  ia 3003 M sln.
ag 3 CH2 s-str 2992  D  ia 2992 S sln.
ag 4 C=C str 1630  D  ia 1630 VS sln.
ag 5 CH2 scis 1438  D  ia 1438 S sln.
ag 6 CH bend 1280  D  ia 1280 S sln.
ag 7 C-C str 1196  D  ia 1196 S sln.
ag 8 CH2 rock 894  D  ia 894 W sln.
ag 9 CCC deform 512  D  ia 512 S sln.
au 10 CH bend 1013  B 1013.4 VS  ia
au 11 CH2 wag 908  B 907.8 VS  ia
au 12 CH2 twist 522  B 522.2 M  ia
au 13 C-C torsion 162  B 162.3 VW  ia
bg 14 CH bend 976  D  ia 976 W sln.
bg 15 CH2 wag 912  D  ia 912 S sln.
bg 16 CH2 twist 770  D  ia 770 VW sln.
bu 17 CH2 a-str 3101  B 3100.6 S  ia
bu 18 CH str 3055  B 3054.9 S  ia
bu 19 CH2 s-str 2984  B 2984.3 S  ia
bu 20 C=C str 1596  B 1596.0 S  ia
bu 21 CH2 scis 1381  B 1380.7 W  ia
bu 22 CH bend 1294  B 1294.3 W  ia
bu 23 CH2 rock 990  B 989.7 M  ia
bu 24 CCC deform 301  B 300.6 VW  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
B1~3 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Vibrational and/or electronic energy levels, References